ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009018
RECORD_TITLE: DIALLYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIALLYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₄
CH$EXACT_MASS: 226.12051
CH$SMILES: C=CCOC(=O)CCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2
CH$LINK: CAS 2998-04-1
CH$LINK: INCHIKEY FPODCVUTIPDRTE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0062763

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01ox-9500000000-eef5608754f745558d0f
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  29 8.32 83
  30 1.06 11
  31 4.52 45
  38 1.61 16
  39 25.56 256
  40 1.22 12
  41 99.99 999
  42 7.76 78
  43 9.1 91
  44 1.52 15
  45 1.1 11
  53 1.57 16
  54 1.83 18
  55 34.7 347
  56 8.95 90
  57 14.7 147
  58 3.96 40
  59 3.92 39
  67 2.24 22
  68 1.48 15
  69 2.17 22
  71 1 10
  79 1.09 11
  80 1.78 18
  81 11.77 118
  82 1.21 12
  83 12.59 126
  84 8.15 82
  85 4.7 47
  95 4.33 43
  99 6.39 64
  100 4.94 49
  101 10.17 102
  109 1.54 15
  111 63.69 637
  112 16.48 165
  113 4.38 44
  127 6.27 63
  129 7.28 73
  140 3.75 38
  141 6.35 64
  142 1.47 15
  153 7.23 72
  168 1.39 14
  169 29.8 298
  170 3.41 34
//